data_image0
_chemical_formula_structural       ZrSIZrISZrISZrSI
_chemical_formula_sum              "Zr4 S4 I4"
_cell_length_a       7.320424749007094
_cell_length_b       7.430031148595008
_cell_length_c       19.205055990405363
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.51320217012338

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Zr  Zr1       1.0  0.9999170906165727  0.9979195928751543  0.49986772935189827  1.0000
  S   S1        1.0  0.33306427841718833  0.16900501485771802  0.5720246848271814  1.0000
  I   I1        1.0  0.33366414636075475  0.16639261129163335  0.38981819911070104  1.0000
  Zr  Zr2       1.0  0.9999170946555624  0.4979195935077261  0.5001322602130703  1.0000
  I   I2        1.0  0.3336641435695396  0.6663926119242052  0.6101818008681918  1.0000
  S   S2        1.0  0.33306427170837816  0.6690050185834273  0.42797530057221744  1.0000
  Zr  Zr3       1.0  0.49991708922808537  0.9979195913285855  0.5001322607337665  1.0000
  I   I3        1.0  0.8336641395081036  0.16639260974506462  0.6101817956612297  1.0000
  S   S3        1.0  0.8330642611777929  0.16900502259056166  0.42797530473778717  1.0000
  Zr  Zr4       1.0  0.49991709053499317  0.49791959196115737  0.4998677298725944  1.0000
  S   S4        1.0  0.8330642711443484  0.6690050077574462  0.5720246843064852  1.0000
  I   I4        1.0  0.8336641431860378  0.6663926041913615  0.38981819911070104  1.0000